============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 10 0.840 59.901 10.860 32.695 -99.200 -91.000 TRP 26 1.040 53.332 0.819 33.755 -99.200 -91.000 TRP6 26 1.020 54.335 2.916 34.190 -99.200 -91.000 TYR 30 0.840 57.253 -0.938 36.322 -99.200 -91.000 TYR 38 0.840 73.220 7.872 36.566 -99.200 -91.000 HIS 39 0.900 69.557 11.312 34.711 -99.200 -91.000 PHE 41 1.000 64.029 13.072 37.952 -99.200 -91.000 PHE 44 1.000 59.453 11.731 40.461 -99.200 -91.000 PHE 50 1.000 44.567 5.003 33.364 -99.200 -91.000 HIS 52 0.900 47.682 -0.087 35.749 -99.200 -91.000 TYR 63 0.840 62.092 8.916 45.054 -99.200 -91.000 TYR 65 0.840 50.941 7.582 44.876 -99.200 -91.000 HIS 79 0.900 45.969 8.624 40.237 -99.200 -91.000 PHE 83 1.000 55.426 8.668 42.291 -99.200 -91.000 TYR 84 0.840 56.551 12.692 49.685 -99.200 -91.000 PHE 89 1.000 61.508 17.145 49.778 -99.200 -91.000 PHE 97 1.000 43.697 23.595 41.683 -99.200 -91.000 TRP 98 1.040 38.758 17.048 39.191 -99.200 -91.000 TRP6 98 1.020 38.745 16.588 41.508 -99.200 -91.000 TRP 110 1.040 35.945 27.092 31.319 -99.200 -91.000 TRP6 110 1.020 37.549 26.422 32.922 -99.200 -91.000 TRP 120 1.040 46.861 21.797 46.637 -99.200 -91.000 TRP6 120 1.020 47.221 22.156 48.941 -99.200 -91.000 HIS 122 0.900 52.751 24.160 53.925 -99.200 -91.000 PHE 123 1.000 55.552 17.875 49.171 -99.200 -91.000 PHE 130 1.000 62.343 26.535 51.002 -99.200 -91.000 PHE 132 1.000 59.079 22.482 48.696 -99.200 -91.000 PHE 134 1.000 56.660 19.792 42.953 -99.200 -91.000 PHE 135 1.000 49.887 24.997 44.128 -99.200 -91.000 HIS 138 0.900 48.240 15.603 30.909 -99.200 -91.000 HIS 140 0.900 43.867 15.786 24.181 -99.200 -91.000 PHE 151 1.000 41.322 34.527 36.538 -99.200 -91.000 PHE 173 1.000 52.014 23.920 32.855 -99.200 -91.000 HIS 179 0.900 50.635 28.347 21.262 -99.200 -91.000 TYR 182 0.840 55.832 30.070 28.689 -99.200 -91.000 PHE 185 1.000 50.239 28.948 34.691 -99.200 -91.000 TYR 195 0.840 64.655 26.958 27.367 -99.200 -91.000 TYR 200 0.840 75.372 24.196 31.528 -99.200 -91.000 TYR 202 0.840 72.578 18.117 28.475 -99.200 -91.000 PHE 208 1.000 54.426 14.353 22.092 -99.200 -91.000 PHE 211 1.000 55.932 5.898 24.072 -99.200 -91.000 PHE 216 1.000 65.543 19.867 17.696 -99.200 -91.000 HIS 223 0.900 56.161 25.041 29.472 -99.200 -91.000 PHE 225 1.000 55.463 27.945 33.790 -99.200 -91.000 PHE 230 1.000 62.019 27.748 45.148 -99.200 -91.000 HIS 231 0.900 71.151 30.837 42.039 -99.200 -91.000 TYR 235 0.840 65.008 23.167 30.968 -99.200 -91.000 TYR 242 0.840 63.258 0.973 26.711 -99.200 -91.000 TYR 251 0.840 70.018 -5.937 20.116 -99.200 -91.000 HIS 259 0.900 54.970 14.520 27.189 -99.200 -91.000 PHE 260 1.000 63.299 13.124 24.837 -99.200 -91.000 PHE 268 1.000 63.857 30.663 49.886 -99.200 -91.000